4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine

C14H17ClN6 — CID 63778097

IUPAC4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C14H17ClN6/c1-19(2)13-16-12(15)17-14(18-13)21-9-8-20(3)10-6-4-5-7-11(10)21/h4-7H,8-9H2,1-3H3
InChIKeyUSZPNHHLKNVMAO-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.18
Rot. Bonds2

About 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 63778097) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine
PubChem CID63778097
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C14H17ClN6/c1-19(2)13-16-12(15)17-14(18-13)21-9-8-20(3)10-6-4-5-7-11(10)21/h4-7H,8-9H2,1-3H3
InChIKeyUSZPNHHLKNVMAO-UHFFFAOYSA-N
XLogP2.18
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine (CID 63778097) is 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(N2CCN(C)c3ccccc32)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is USZPNHHLKNVMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c1-19(2)13-16-12(15)17-14(18-13)21-9-8-20(3)10-6-4-5-7-11(10)21/h4-7H,8-9H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 304.79 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63778097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).